quinolin-2-ylmethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: quinolin-2-ylmethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-quinolylmethyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid 2-quinolylmethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O3S/c1-15-6-9-17(10-7-15)23-20(24)13-27-14-21(25)26-12-18-11-8-16-4-2-3-5-19(16)22-18/h2-11H,12-14H2,1H3,(H,23,24)